ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate

C15H21NO3S — CID 63917282

IUPACethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
SMILESCCOC(=O)C(N)(CSc1cccc(OC)c1)C1CC1
InChIInChI=1S/C15H21NO3S/c1-3-19-14(17)15(16,11-7-8-11)10-20-13-6-4-5-12(9-13)18-2/h4-6,9,11H,3,7-8,10,16H2,1-2H3
InChIKeyOSSNDOXNDCCZPD-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate

ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate (PubChem CID 63917282) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
PubChem CID63917282
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
SMILESCCOC(=O)C(N)(CSc1cccc(OC)c1)C1CC1
InChIInChI=1S/C15H21NO3S/c1-3-19-14(17)15(16,11-7-8-11)10-20-13-6-4-5-12(9-13)18-2/h4-6,9,11H,3,7-8,10,16H2,1-2H3
InChIKeyOSSNDOXNDCCZPD-UHFFFAOYSA-N
XLogP2.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
methyl 2-amino-3-(3-bromophenyl)sulfanyl-2-cyclopropylpropanoate
CID 63918691
2-cyclopropyl-2-(ethylamino)-3-(3-methoxyphenyl)sulfanylpropanoic acid
CID 63917106
1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
ethyl 2-(3-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 68832027
methyl 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanoate
CID 63917659
ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64806795
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055
ethyl 2-amino-2-cyclopropyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63919488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate (CID 63917282) is ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate is CCOC(=O)C(N)(CSc1cccc(OC)c1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate?
The InChIKey is OSSNDOXNDCCZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-19-14(17)15(16,11-7-8-11)10-20-13-6-4-5-12(9-13)18-2/h4-6,9,11H,3,7-8,10,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate?
ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate has a molecular weight of 295.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate is sourced from PubChem (CID 63917282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).